methyl (2S)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(5-nitrobenzothiophene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-nitrobenzothiophene-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-26-19(23)15(9-12-5-3-2-4-6-12)20-18(22)17-11-13-10-14(21(24)25)7-8-16(13)27-17/h2-8,10-11,15H,9H2,1H3,(H,20,22)/t15-/m0/s1